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  • Title: Metastable Lennard-Jones fluids. I. Shear viscosity.
    Author: Baidakov VG, Protsenko SP, Kozlova ZR.
    Journal: J Chem Phys; 2012 Oct 28; 137(16):164507. PubMed ID: 23126730.
    Abstract:
    Molecular dynamics methods have been employed to calculate the coefficient of shear viscosity η(s)* of a Lennard-Jones fluid. Calculations have been performed in the range of reduced temperatures 0.4 ≤ k(B)T/ε ≤ 2.0 and densities 0.01 ≤ ρσ(3) ≤ 1.2. Values of η(s)* have been obtained for 217 states, 99 of which refer to metastable liquid and gas regions. The results of calculating η(s)* for thermodynamically stable states are in satisfactory agreement with the data of earlier investigations. An equation has been obtained which describes the temperature and density dependence of the coefficient of shear viscosity in stable and metastable regions of the phase diagram up to the boundaries of spontaneous nucleation. The behavior of the coefficient of shear viscosity close to the spinodal of a superheated liquid and supersaturated vapor is discussed and the applicability of the Stokes-Einstein relation at high supercoolings of the liquid phase is examined.
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